4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide

C22H28FN3O — CID 19772062

IUPAC4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(NCCc2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-24-22(27)26-15-12-19(13-16-26)21(18-7-9-20(23)10-8-18)25-14-11-17-5-3-2-4-6-17/h2-10,19,21,25H,11-16H2,1H3,(H,24,27)
InChIKeyFSABKBMMLIMLPP-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.75
Rot. Bonds6

About 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide

4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 19772062) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide
PubChem CID19772062
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(NCCc2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-24-22(27)26-15-12-19(13-16-26)21(18-7-9-20(23)10-8-18)25-14-11-17-5-3-2-4-6-17/h2-10,19,21,25H,11-16H2,1H3,(H,24,27)
InChIKeyFSABKBMMLIMLPP-UHFFFAOYSA-N
XLogP3.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide (CID 19772062) is 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C(NCCc2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is FSABKBMMLIMLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-24-22(27)26-15-12-19(13-16-26)21(18-7-9-20(23)10-8-18)25-14-11-17-5-3-2-4-6-17/h2-10,19,21,25H,11-16H2,1H3,(H,24,27).
What are the key properties of 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide?
4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-(2-phenylethylamino)methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 19772062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).